(2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide

C15H14N2O — CID 100944790

IUPAC(2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESNC(=O)[C@H]1Nc2ccccc2[C@@H]1c1ccccc1
InChIInChI=1S/C15H14N2O/c16-15(18)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-14/h1-9,13-14,17H,(H2,16,18)/t13-,14-/m0/s1
InChIKeyMBYUEJUBZSXMSJ-KBPBESRZSA-N
MW238.29 g/mol
LogP2.10
Rot. Bonds2

About (2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide

(2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 100944790) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID100944790
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESNC(=O)[C@H]1Nc2ccccc2[C@@H]1c1ccccc1
InChIInChI=1S/C15H14N2O/c16-15(18)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-14/h1-9,13-14,17H,(H2,16,18)/t13-,14-/m0/s1
InChIKeyMBYUEJUBZSXMSJ-KBPBESRZSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide (CID 100944790) is (2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide is NC(=O)[C@H]1Nc2ccccc2[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is MBYUEJUBZSXMSJ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H14N2O/c16-15(18)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-14/h1-9,13-14,17H,(H2,16,18)/t13-,14-/m0/s1.
What are the key properties of (2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide?
(2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 100944790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).